CID 67345608

2-(bromomethyl)-3-chloro-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H4BrClF3N
SMILES
C1=C(C=NC(=C1Cl)CBr)C(F)(F)F
InChI
InChI=1S/C7H4BrClF3N/c8-2-6-5(9)1-4(3-13-6)7(10,11)12/h1,3H,2H2
InChIKey
WPALGCBMYXXOSU-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-3-chloro-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

272.91678 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.92406 144.6
[M+Na]+ 295.90600 159.4
[M-H]- 271.90950 146.5
[M+NH4]+ 290.95060 164.7
[M+K]+ 311.87994 145.8
[M+H-H2O]+ 255.91404 143.2
[M+HCOO]- 317.91498 157.2
[M+CH3COO]- 331.93063 191.9
[M+Na-2H]- 293.89145 151.8
[M]+ 272.91623 161.5
[M]- 272.91733 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe